3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide

C18H25ClN2O — CID 23723521

IUPAC3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide
SMILESO=C(CCC1CCN(Cc2ccccc2Cl)CC1)NC1CC1
InChIInChI=1S/C18H25ClN2O/c19-17-4-2-1-3-15(17)13-21-11-9-14(10-12-21)5-8-18(22)20-16-6-7-16/h1-4,14,16H,5-13H2,(H,20,22)
InChIKeyDLHANEPQCKBCFI-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.61
Rot. Bonds6

About 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide

3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide (PubChem CID 23723521) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide
PubChem CID23723521
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide
SMILESO=C(CCC1CCN(Cc2ccccc2Cl)CC1)NC1CC1
InChIInChI=1S/C18H25ClN2O/c19-17-4-2-1-3-15(17)13-21-11-9-14(10-12-21)5-8-18(22)20-16-6-7-16/h1-4,14,16H,5-13H2,(H,20,22)
InChIKeyDLHANEPQCKBCFI-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide (CID 23723521) is 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide is O=C(CCC1CCN(Cc2ccccc2Cl)CC1)NC1CC1.
What is the InChIKey of 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide?
The InChIKey is DLHANEPQCKBCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c19-17-4-2-1-3-15(17)13-21-11-9-14(10-12-21)5-8-18(22)20-16-6-7-16/h1-4,14,16H,5-13H2,(H,20,22).
What are the key properties of 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide?
3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide has a molecular weight of 320.86 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 23723521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).